UCSF

ZINC38760717

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 10 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.41 0.75 -3.29 3 2 0 46 178.018 0
Hi High (pH 8-9.5) 2.41 1.51 -34.79 2 2 -1 49 177.01 0

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )